General Information of the Compound
| Compound ID |
CP0395319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[4-[3-(2-propylphenoxy)propoxy]phenoxy]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26O5
|
||||||||||||||||||
| Molecular Weight |
358.434
|
||||||||||||||||||
| Canonical SMILES |
CCCc1ccccc1OCCCOc1ccc(OCC(=O)OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26O5/c1-3-7-17-8-4-5-9-20(17)25-15-6-14-24-18-10-12-19(13-11-18)26-16-21(22)23-2/h4-5,8-13H,3,6-7,14-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFZRVAHMALYXTJ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound